| CAS Number | 780821-17-2 |
| Catalog Number | AG00ICX6(AGN-PC-0WQXXO) |
| Chemical Name | 4-(N-BOC-N-METHYLAMINO)-BENZALDEHYDE |
| IUPAC Name | tert-butyl N-(4-formylphenyl)-N-methylcarbamate |
| InChI | InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14(4)11-7-5-10(9-15)6-8-11/h5-9H,1-4H3 |
| InChI Key | FVFMKIIPSLKNFS-UHFFFAOYSA-N |
| MDL Number | MFCD18206145 |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.2790 |
| SMILES | C(=O)C1=CC=C(C=C1)N(C(OC(C)(C)C)=O)C |
| Synonyms | 4-(N-Boc-N-methylamino)-benzaldehyde,
780821-17-2,
tert-Butyl (4-formylphenyl)(methyl)carbamate,
SCHEMBL3261042,
FVFMKIIPSLKNFS-UHFFFAOYSA-N,
MFCD18206145,
ZINC147428452,
4-[N-(tert-butoxycarbony)-N-methylamino]benzaldehyde,
(4-Formyl-phenyl)-methyl-carbamic acid tert-butyl ester,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.283g/mol |
| Monoisotopic Mass | 235.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number